chempirical

Zebularine

C9H12N2O5CAS 3690-10-6228.20 g/mol

Open in Covalent MOL file
ONNOHOHOOH
AlcoholEther

Properties

Molecular formula
C9H12N2O5
Molar mass
228.20 g/mol
Exact mass
228.0746 Da
Melting point
183 °C
logP
-2.15Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3690-10-6
SMILES
O=c1ncccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey
RPQZTTQVRYEKCR-WCTZXXKLSA-N
InChI
InChI=1S/C9H12N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1-3,5-8,12-14H,4H2/t5-,6-,7-,8-/m1/s1

Weigh it out

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Names and synonyms

9 names
  • 2(1H)-Pyrimidinone, 1-β-D-ribofuranosyl-
  • 1-β-D-Ribofuranosyl-2(1H)-pyrimidinone
  • 4-Deoxyuridine
  • 1-(β-D-Ribofuranosyl)-2-pyrimidone
  • Uridine, 4-deoxy-
  • Pyrimidin-2-one β-D-ribofuranoside
  • 1-β-D-Ribofuranosyl-2-pyrimidinone
  • NSC 309132
  • 1-(β-D-Ribofuranosyl)-1,2-dihydropyrimidin-2-one

Work with Zebularine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Uracil arabinoside3083-77-063 % similar Uridine58-96-863 % similar 4-Thiouridine13957-31-861 % similar N4-Hydroxycytidine3258-02-460 % similar N(4)-Methylcytidine10578-79-758 % similar 5-Hydroxyuridine957-77-755 % similar N4-Acetylcytidine3768-18-154 % similar 5-Iodouridine1024-99-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitro-L-phenylalanine monohydrate207591-86-4 2'-Deoxypseudouridine39967-60-7 3'-Deoxyuridine7057-27-4 Deoxyuridine951-78-0

Elsewhere

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